isobutyl ionone
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IUPAC Name :(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
InChI :InChI=1/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
Std.InChI: InChI=1S/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
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InChIKey :QLDFUXZWCMSFEO-CMDGGOBGBS
Std.InChIKey: QLDFUXZWCMSFEO-CMDGGOBGSA-N
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SMILES :CC1=CCCC(C1/C=C/C(=O)CC(C)C)(C)C
Molar Refractivity :75.56 ± 0.3 cm3 (est)
Parachor :610.2 ± 6.0 cm3 (est)
Index of Refraction :1.503 ± 0.02 (est)
Surface Tension :32.5 ± 3.0 dyne/cm (est)
Density :0.917 ± 0.06 g/cm3 (est)
Polarizability :29.95 ± 0.5 10-24cm3 (est)